General Information of the Compound
| Compound ID |
CP0477884
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| Compound Name |
8-(2-bromo-acetyl)-1,2,3,11-tetrahydro-5,11-diaza-benzo[a]trindene-4,6-dione
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| Structure |
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| Formula |
C19H13BrN2O3
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| Molecular Weight |
397.228
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| Canonical SMILES |
BrCC(=O)c1ccc2[nH]c3c4CCCc4c4C(=O)NC(=O)c4c3c2c1
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| InChI |
InChI=1S/C19H13BrN2O3/c20-7-13(23)8-4-5-12-11(6-8)14-16-15(18(24)22-19(16)25)9-2-1-3-10(9)17(14)21-12/h4-6,21H,1-3,7H2,(H,22,24,25)
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| InChIKey |
ZULPVLJMGLAURI-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound